4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile

C10H9ClFNO — CID 82078369

IUPAC4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile
SMILESN#CCC(O)Cc1c(F)cccc1Cl
InChIInChI=1S/C10H9ClFNO/c11-9-2-1-3-10(12)8(9)6-7(14)4-5-13/h1-3,7,14H,4,6H2
InChIKeyBSWWQZREMOIGJR-UHFFFAOYSA-N
MW213.64 g/mol
LogP2.30
Rot. Bonds3

About 4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile

4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile (PubChem CID 82078369) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile
PubChem CID82078369
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile
SMILESN#CCC(O)Cc1c(F)cccc1Cl
InChIInChI=1S/C10H9ClFNO/c11-9-2-1-3-10(12)8(9)6-7(14)4-5-13/h1-3,7,14H,4,6H2
InChIKeyBSWWQZREMOIGJR-UHFFFAOYSA-N
XLogP2.30
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutanenitrile
CID 171900532
1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol
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1-(2-chloro-6-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
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1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-ol
CID 55144841
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642524
3-[(2-chloro-6-fluorophenyl)methylamino]propanenitrile
CID 28728531
1-(2-chloro-6-fluorophenyl)-4-methylpent-3-en-2-ol
CID 115817012
(2S)-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]propane-1,2-diol
CID 97049241
3-(2-chloro-6-fluorophenyl)-2-(3-fluorophenyl)propanenitrile
CID 82139812

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile (CID 82078369) is 4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile is N#CCC(O)Cc1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile?
The InChIKey is BSWWQZREMOIGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO/c11-9-2-1-3-10(12)8(9)6-7(14)4-5-13/h1-3,7,14H,4,6H2.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile?
4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile has a molecular weight of 213.64 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile is sourced from PubChem (CID 82078369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).